Vitas-M small molecule compound

4-ethyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

Catalog ID
STK530151
SMILES CCn1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H28N4OS MW 420.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4OS/c1-4-27-21(29)19-20(28-22(27)25-26-23(28)30-15-16(2)3)18-11-7-6-10-17(18)14-24(19)12-8-5-9-13-24/h6-7,10-11H,2,4-5,8-9,12-15H2,1,3H3
InChIKey
CXLNWVNAADWIDG-UHFFFAOYSA-N
Synonyms

4ethyl1((2methylallyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4ethyl1((2methylprop2en1yl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCC(=C)C
InChI=1SC24H28N4OSc142721(29)1920(2822(27)252623(28)301516(2)3)1811761017(18)1424(19)128591324h671011H245891215H213H3
MFCD02234377
ZINC000002292492
ZINC2292492

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Available files

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